3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea

C117H133F10N37O5 — CID 158217425

About 3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea

3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea (PubChem CID 158217425) has the molecular formula C117H133F10N37O5 and a molecular weight of 2327.58 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea.

Molecular Properties

• Compound Name: 3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea
• PubChem CID: 158217425
• Molecular Formula: C117H133F10N37O5
• Molecular Weight: 2327.58 g/mol
• Exact Mass: 2326.11
• IUPAC Name: 3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea
• SMILES: CN(C(=O)NC(C)(C)C)C1CCN(c2nnc(-c3ccnn3C)c3c2CCC3)CC1.CN(C(=O)Nc1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3cccnc23)CC1.CN(C(=O)Nc1ccc(F)cc1F)C1CCN(c2nnc(-c3ccnn3C)c3cccnc23)CC1.Cc1c(-c2ccnn2C)nnc(N2CCC(N(C)C(=O)Nc3ccc(F)cc3F)CC2)c1C.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)c2c1CCC2
• InChI: InChI=1S/C25H24F4N8O.C24H24F2N8O.C23H25F2N7O.C23H27F2N7O.C22H33N7O/c1-35(24(38)32-19-6-5-15(26)14-18(19)25(27,28)29)16-8-12-37(13-9-16)23-22-17(4-3-10-30-22)21(33-34-23)20-7-11-31-36(20)2;1-32(24(35)29-19-6-5-15(25)14-18(19)26)16-8-12-34(13-9-16)23-22-17(4-3-10-27-22)21(30-31-23)20-7-11-28-33(20)2;1-31-20(7-10-26-31)21-16-3-2-4-17(16)22(30-29-21)32-11-8-15(9-12-32)27-23(33)28-19-6-5-14(24)13-18(19)25;1-14-15(2)22(29-28-21(14)20-7-10-26-31(20)4)32-11-8-17(9-12-32)30(3)23(33)27-19-6-5-16(24)13-18(19)25;1-22(2,3)24-21(30)27(4)15-10-13-29(14-11-15)20-17-8-6-7-16(17)19(25-26-20)18-9-12-23-28(18)5/h3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,32,38);3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,29,35);5-7,10,13,15H,2-4,8-9,11-12H2,1H3,(H2,27,28,33);5-7,10,13,17H,8-9,11-12H2,1-4H3,(H,27,33);9,12,15H,6-8,10-11,13-14H2,1-5H3,(H,24,30)
• InChIKey: GCVGSFUUPMIXGW-UHFFFAOYSA-N
• XLogP: 18.67
• TPSA: 430.47 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 19
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2327.58
LogP ≤ 5	18.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea?

The IUPAC name of 3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea (CID 158217425) is 3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea.

What is the SMILES notation for 3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea?

The canonical SMILES for 3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea is CN(C(=O)NC(C)(C)C)C1CCN(c2nnc(-c3ccnn3C)c3c2CCC3)CC1.CN(C(=O)Nc1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3cccnc23)CC1.CN(C(=O)Nc1ccc(F)cc1F)C1CCN(c2nnc(-c3ccnn3C)c3cccnc23)CC1.Cc1c(-c2ccnn2C)nnc(N2CCC(N(C)C(=O)Nc3ccc(F)cc3F)CC2)c1C.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)c2c1CCC2.

What is the InChIKey of 3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea?

The InChIKey is GCVGSFUUPMIXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N8O.C24H24F2N8O.C23H25F2N7O.C23H27F2N7O.C22H33N7O/c1-35(24(38)32-19-6-5-15(26)14-18(19)25(27,28)29)16-8-12-37(13-9-16)23-22-17(4-3-10-30-22)21(33-34-23)20-7-11-31-36(20)2;1-32(24(35)29-19-6-5-15(25)14-18(19)26)16-8-12-34(13-9-16)23-22-17(4-3-10-27-22)21(30-31-23)20-7-11-28-33(20)2;1-31-20(7-10-26-31)21-16-3-2-4-17(16)22(30-29-21)32-11-8-15(9-12-32)27-23(33)28-19-6-5-14(24)13-18(19)25;1-14-15(2)22(29-28-21(14)20-7-10-26-31(20)4)32-11-8-17(9-12-32)30(3)23(33)27-19-6-5-16(24)13-18(19)25;1-22(2,3)24-21(30)27(4)15-10-13-29(14-11-15)20-17-8-6-7-16(17)19(25-26-20)18-9-12-23-28(18)5/h3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,32,38);3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,29,35);5-7,10,13,15H,2-4,8-9,11-12H2,1H3,(H2,27,28,33);5-7,10,13,17H,8-9,11-12H2,1-4H3,(H,27,33);9,12,15H,6-8,10-11,13-14H2,1-5H3,(H,24,30).

What are the key properties of 3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea?

3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea has a molecular weight of 2327.58 g/mol, XLogP of 18.67, 19 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-(2,4-difluorophenyl)-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;3-(2,4-difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea is sourced from PubChem (CID 158217425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).